[2-[2-ethanoyl-4-(hexadecylamino)phenyl]-2-phosphonooxy-ethyl]-trimethyl-azanium

Systemtic Name: [2-[2-ethanoyl-4-(hexadecylamino)phenyl]-2-phosphonooxy-ethyl]-trimethyl-azanium Openeye Name: [2-[2-acetyl-4-(hexadecylamino)phenyl]-2-phosphonooxy-ethyl]-trimethyl-ammonium CAS Name: [2-[2-acetyl-4-(hexadecylamino)phenyl]-2-phosphonooxyethyl]-trimethylammonium IUPAC Name: [2-[2-acetyl-4-(hexadecylamino)phenyl]-2-phosphonooxyethyl]-trimethylazanium Traditional Name: [2-[2-acetyl-4-(cetylamino)phenyl]-2-phosphonooxy-ethyl]-trimethyl-ammonium Formula: C29H54N2O5P+ MolecularWeight: 541.723221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC(=C(C=C1)C(C[N+](C)(C)C)OP(=O)(O)O)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC(=C(C=C1)C(C[N+](C)(C)C)OP(=O)(O)O)C(=O)C

InChI

InChI=1S/C29H53N2O5P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-30-26-20-21-27(28(23-26)25(2)32)29(24-31(3,4)5)36-37(33,34)35/h20-21,23,29-30H,6-19,22,24H2,1-5H3,(H-,33,34,35)/p+1